In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2010 | 15 | Yes |
Popular Name: N-methyl-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine N-methyl-N-(1-methylpyrazolo[3,4…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | -0.88 | 3.11 | -52.28 | 3 | 6 | 1 | 74 | 207.261 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.88 | 2.72 | -8.76 | 2 | 6 | 0 | 73 | 206.253 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.